2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide

C18H20BrN5O — CID 19346460

IUPAC2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1ccccc1Cn1cc(NC(=O)C(C)(C)n2cc(Br)cn2)cn1
InChIInChI=1S/C18H20BrN5O/c1-13-6-4-5-7-14(13)10-23-12-16(9-20-23)22-17(25)18(2,3)24-11-15(19)8-21-24/h4-9,11-12H,10H2,1-3H3,(H,22,25)
InChIKeyICOCXSDWTUHCLU-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide

2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19346460) has the molecular formula C18H20BrN5O and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID19346460
Molecular FormulaC18H20BrN5O
Molecular Weight402.30 g/mol
Exact Mass401.09
IUPAC Name2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1ccccc1Cn1cc(NC(=O)C(C)(C)n2cc(Br)cn2)cn1
InChIInChI=1S/C18H20BrN5O/c1-13-6-4-5-7-14(13)10-23-12-16(9-20-23)22-17(25)18(2,3)24-11-15(19)8-21-24/h4-9,11-12H,10H2,1-3H3,(H,22,25)
InChIKeyICOCXSDWTUHCLU-UHFFFAOYSA-N
XLogP3.57
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-[[2-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402436
2-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19407748
3-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346457
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565
2-(4-bromopyrazol-1-yl)-2-methyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 47093090
2-(4-bromopyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19408238
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276
(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide (CID 19346460) is 2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide is Cc1ccccc1Cn1cc(NC(=O)C(C)(C)n2cc(Br)cn2)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is ICOCXSDWTUHCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O/c1-13-6-4-5-7-14(13)10-23-12-16(9-20-23)22-17(25)18(2,3)24-11-15(19)8-21-24/h4-9,11-12H,10H2,1-3H3,(H,22,25).
What are the key properties of 2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide?
2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 402.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19346460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).